# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 102.14 8.56 12.28 21.76 113.98 -157.76 -89.47 129.75 99.88 0.08 0.04 99.76 0.11 0.05 0.02 0.00 0.00 0.03 0.01 1 S C C 69.58 5.12 11.19 17.85 114.14 -136.74 -86.08 144.63 86.22 1.20 12.58 79.04 1.35 6.84 9.30 2.23 0.00 0.60 0.64 2 S C C 81.46 3.53 11.04 16.14 103.91 -129.53 -83.62 17.37 73.19 1.55 25.26 45.93 13.34 13.64 19.43 6.09 0.01 0.67 0.89 3 L C C 95.40 6.58 11.15 19.07 106.34 94.26 -85.37 56.54 61.93 1.25 36.82 34.59 15.68 12.37 30.08 6.07 0.02 0.50 0.70 4 S C C 51.48 6.37 13.53 21.30 109.65 69.74 -80.52 152.71 57.66 1.03 41.31 41.56 8.79 7.09 38.02 3.60 0.00 0.40 0.54 5 E H H 108.15 5.70 16.49 23.16 94.60 -103.78 -64.96 -36.69 6.73 0.05 93.22 3.23 1.49 2.01 92.67 0.55 0.00 0.01 0.03 6 Y H H 78.17 12.25 16.54 28.92 92.66 52.40 -65.26 -41.26 2.16 0.02 97.82 0.71 0.29 1.06 97.60 0.33 0.00 0.00 0.00 7 A H H 30.52 10.59 17.15 28.99 91.87 51.16 -64.12 -41.10 0.90 0.01 99.09 0.32 0.10 0.43 98.92 0.23 0.00 0.00 0.00 8 F H H 99.04 5.49 21.07 26.92 91.88 50.54 -64.67 -41.22 0.43 0.00 99.57 0.14 0.04 0.20 99.50 0.11 0.00 0.00 0.00 9 R H H 76.50 11.35 20.80 32.23 91.68 50.19 -64.58 -41.74 0.50 0.00 99.49 0.11 0.03 0.29 99.48 0.08 0.00 0.00 0.00 10 M H H 39.23 16.63 20.00 36.07 91.93 50.42 -63.99 -41.38 0.52 0.00 99.48 0.09 0.03 0.32 99.49 0.07 0.00 0.00 0.00 11 S H H 41.12 10.02 22.15 32.44 91.76 51.48 -64.41 -41.20 0.93 0.00 99.07 0.15 0.06 0.58 99.13 0.08 0.00 0.00 0.00 12 R H H 101.76 7.56 24.00 31.76 91.99 49.63 -65.36 -41.54 0.72 0.00 99.27 0.09 0.04 0.44 99.37 0.05 0.00 0.00 0.00 13 L H H 25.16 15.73 21.18 37.07 91.80 50.17 -64.07 -42.65 0.30 0.00 99.69 0.06 0.02 0.16 99.70 0.06 0.00 0.00 0.00 14 S H H 19.35 14.76 19.84 35.02 91.53 51.34 -62.92 -41.54 0.26 0.00 99.74 0.04 0.01 0.15 99.72 0.07 0.00 0.00 0.00 15 A H H 31.13 8.20 19.44 28.96 91.59 51.11 -64.11 -41.45 0.24 0.00 99.76 0.02 0.01 0.16 99.70 0.10 0.00 0.00 0.00 16 R H H 113.53 7.65 20.83 28.78 92.37 49.05 -66.34 -40.63 0.42 0.00 99.58 0.02 0.02 0.35 99.43 0.18 0.00 0.00 0.00 17 L H H 39.01 17.15 17.46 33.90 94.99 43.26 -72.28 -39.37 1.84 0.00 98.15 0.05 0.06 1.76 97.91 0.22 0.00 0.00 0.00 18 F H H 76.65 11.02 16.90 28.60 98.47 28.16 -101.27 -5.25 15.05 0.03 84.92 0.68 1.36 12.86 84.69 0.35 0.02 0.01 0.03 19 G C T 48.70 5.16 16.69 22.95 94.94 -119.62 75.78 12.45 99.05 0.17 0.78 19.48 26.86 52.80 0.32 0.37 0.00 0.09 0.08 20 E C S 100.19 5.06 16.15 22.61 129.19 100.67 -124.68 154.04 98.39 1.17 0.44 33.60 62.67 2.25 0.17 0.22 0.00 0.49 0.61 21 V C C 77.01 10.00 13.14 24.07 113.74 -115.00 -91.28 126.39 97.55 1.81 0.65 82.54 13.42 1.47 0.24 0.38 0.00 0.81 1.14 22 T C C 67.03 9.74 14.07 24.59 103.47 -165.21 -88.20 -21.61 98.15 1.32 0.53 61.17 35.41 1.70 0.19 0.30 0.00 0.53 0.70 23 R C C 139.01 4.62 16.38 22.14 115.64 11.60 -117.35 115.67 98.36 1.20 0.44 51.23 45.58 1.61 0.15 0.25 0.00 0.41 0.77 24 P C C 59.78 12.80 11.49 24.51 107.95 -131.01 -67.73 132.20 97.78 0.42 1.80 54.52 16.52 26.67 0.36 1.50 0.00 0.21 0.22 25 T C C 92.30 4.95 14.17 20.33 101.98 88.32 -95.72 4.88 96.58 0.67 2.74 48.64 22.00 25.98 0.79 1.87 0.00 0.27 0.45 26 N C C 70.60 6.33 12.40 20.46 115.16 109.02 -88.77 137.34 93.51 0.90 5.60 50.75 40.51 2.13 4.63 0.91 0.00 0.19 0.88 27 S H H 81.16 2.75 14.07 18.02 93.24 -130.38 -62.94 -34.19 15.89 0.10 84.01 5.56 3.83 6.86 80.85 2.79 0.01 0.04 0.05 28 K H H 115.50 4.37 16.15 21.48 92.70 55.25 -66.48 -38.73 10.31 0.07 89.61 3.36 1.46 5.34 86.98 2.79 0.01 0.03 0.03 29 S H H 20.89 13.95 13.09 27.86 92.81 51.29 -65.75 -38.55 5.75 0.07 94.18 2.75 0.80 2.30 91.45 2.65 0.00 0.04 0.02 30 M H H 76.87 7.64 17.11 25.87 92.23 53.32 -64.30 -39.36 2.54 0.03 97.43 1.37 0.35 0.89 96.29 1.08 0.00 0.01 0.01 31 K H H 107.27 3.54 20.29 23.79 92.26 52.83 -65.40 -40.73 1.75 0.03 98.22 0.74 0.20 0.79 97.64 0.60 0.00 0.01 0.01 32 V H H 35.07 12.54 17.71 30.96 92.18 50.44 -64.67 -42.79 1.27 0.02 98.70 0.46 0.13 0.62 98.30 0.47 0.00 0.01 0.00 33 V H H 35.52 13.79 16.79 31.08 92.01 50.37 -64.10 -42.04 1.16 0.02 98.82 0.43 0.12 0.54 98.39 0.51 0.00 0.01 0.00 34 K H H 116.57 3.72 20.26 24.38 91.91 51.18 -64.53 -39.85 2.19 0.02 97.79 0.50 0.19 1.33 96.83 1.11 0.00 0.01 0.00 35 L H H 63.89 8.33 17.05 26.55 92.30 51.54 -66.91 -38.10 4.18 0.02 95.80 0.62 0.35 2.94 94.08 1.98 0.01 0.01 0.01 36 F H H 61.95 14.44 14.02 28.53 94.11 52.23 -76.66 -21.08 13.17 0.07 86.76 1.95 1.36 9.51 84.72 2.38 0.02 0.02 0.04 37 S H H 59.28 8.14 15.58 24.42 95.87 63.34 -80.26 -13.34 42.45 0.25 57.30 6.45 5.35 30.42 54.82 2.65 0.04 0.09 0.17 38 E C H 107.75 4.70 15.03 21.05 115.77 79.82 -88.42 146.04 65.58 0.53 33.89 14.26 26.61 24.11 31.78 2.65 0.03 0.16 0.40 39 L C S 85.46 6.47 13.84 21.70 114.44 -94.29 -76.12 140.95 86.35 0.61 13.03 33.92 46.09 6.05 11.44 1.83 0.00 0.18 0.49 40 P C C 49.45 8.14 12.93 22.98 109.35 -103.19 -66.58 137.44 81.33 1.04 17.63 73.53 3.23 5.53 11.65 4.80 0.00 0.41 0.84 41 L H G 82.55 8.76 11.32 21.35 94.19 -129.22 -63.72 -30.07 47.17 0.68 52.15 8.06 6.79 31.05 15.50 37.73 0.04 0.32 0.52 42 A H G 77.41 2.79 12.53 16.45 93.48 60.21 -69.73 -23.84 46.14 0.24 53.62 3.00 4.80 36.01 14.32 41.51 0.02 0.12 0.21 43 K H G 141.48 2.15 12.73 15.51 97.71 44.90 -86.85 -12.71 46.11 0.55 53.34 5.51 7.75 31.74 12.37 41.91 0.04 0.26 0.41 44 K C C 83.35 8.15 8.92 18.41 110.23 51.22 -119.29 89.67 92.23 0.68 7.09 70.81 17.22 4.00 4.67 2.28 0.00 0.20 0.83 45 K H G 140.76 2.89 12.46 17.07 95.05 -160.58 -66.16 -28.97 43.28 0.30 56.43 5.73 5.44 30.18 21.09 37.16 0.02 0.14 0.23 46 E H G 121.83 3.21 13.36 17.70 93.95 62.46 -71.41 -22.68 42.97 0.33 56.70 3.96 4.77 31.85 22.55 36.41 0.05 0.16 0.26 47 T H G 44.38 11.30 11.17 23.26 99.46 51.36 -87.29 -17.77 35.86 0.91 63.23 8.48 5.41 20.80 24.00 40.33 0.04 0.50 0.44 48 Y H G 102.96 9.72 12.59 23.15 97.36 70.43 -73.80 -24.03 43.77 1.28 54.96 13.37 7.35 22.81 19.86 35.20 0.04 0.64 0.73 49 D C G 100.64 3.50 17.00 21.19 98.13 60.76 -85.40 2.51 56.87 1.00 42.13 16.08 8.96 31.63 9.73 32.47 0.02 0.50 0.61 50 W C C 101.25 10.82 14.21 25.71 101.00 93.28 -88.85 -4.04 69.92 2.01 28.06 36.97 16.90 16.52 6.41 20.88 0.01 0.85 1.46 51 Y C C 83.55 12.80 13.33 26.60 116.79 79.27 -104.81 128.54 96.28 1.68 2.04 54.47 39.20 2.53 1.12 0.73 0.00 0.50 1.46 52 P C C 46.33 11.42 13.81 26.27 115.91 -111.25 -70.44 152.47 98.16 0.56 1.28 78.61 16.86 2.74 0.66 0.49 0.00 0.21 0.43 53 N C C 87.08 5.03 16.19 22.05 112.23 -101.01 -67.61 145.42 94.85 1.25 3.90 89.18 3.86 1.75 3.07 0.65 0.00 0.34 1.16 54 H H H 114.59 7.03 12.13 20.60 93.96 -120.51 -62.37 -35.21 15.91 0.14 83.94 5.54 3.44 7.87 80.16 2.82 0.03 0.06 0.09 55 H H H 133.51 1.97 15.31 17.25 94.12 55.37 -67.98 -35.28 11.76 0.09 88.15 2.52 1.54 7.68 85.41 2.73 0.03 0.05 0.04 56 T H H 54.18 6.85 15.00 23.21 94.46 49.48 -69.43 -39.32 8.15 0.13 91.72 2.85 1.04 4.46 88.89 2.62 0.02 0.07 0.05 57 Y H H 60.13 13.56 13.64 27.59 92.45 53.13 -64.30 -41.58 1.82 0.01 98.17 0.78 0.20 0.71 97.96 0.35 0.00 0.00 0.00 58 A H H 51.44 4.71 17.66 23.32 91.97 51.66 -63.88 -41.29 0.34 0.00 99.66 0.08 0.02 0.16 99.65 0.08 0.00 0.00 0.00 59 E H H 97.95 2.96 19.01 21.80 91.73 50.32 -65.03 -41.12 0.12 0.00 99.88 0.02 0.00 0.07 99.86 0.05 0.00 0.00 0.00 60 L H H 41.19 12.10 16.52 29.52 92.17 50.15 -64.62 -41.83 0.10 0.00 99.90 0.01 0.00 0.06 99.87 0.05 0.00 0.00 0.00 61 M H H 53.51 12.75 16.23 29.51 91.97 51.00 -63.63 -40.92 0.14 0.00 99.86 0.01 0.00 0.10 99.81 0.08 0.00 0.00 0.00 62 Q H H 98.62 2.74 19.42 21.77 92.03 50.95 -64.76 -41.00 0.51 0.00 99.49 0.02 0.01 0.45 99.32 0.19 0.00 0.00 0.00 63 T H H 61.98 4.63 17.98 23.31 92.24 49.45 -65.50 -41.42 1.45 0.00 98.55 0.07 0.08 1.27 98.16 0.43 0.00 0.00 0.00 64 L H H 26.36 14.17 13.21 28.33 93.08 49.37 -66.92 -39.03 2.07 0.01 97.92 0.23 0.17 1.48 94.00 4.11 0.00 0.00 0.00 65 R H H 110.38 8.31 14.15 23.56 91.73 55.43 -62.68 -40.65 2.75 0.01 97.24 0.18 0.12 2.18 86.87 10.64 0.00 0.01 0.00 66 F H H 159.45 1.42 15.75 16.78 91.00 53.18 -66.10 -28.70 8.66 0.01 91.32 0.18 0.23 8.49 80.72 10.36 0.02 0.01 0.01 67 L C T 90.27 5.60 13.55 20.59 92.98 52.08 -88.09 -1.45 69.35 0.04 30.61 0.36 1.27 69.38 22.60 6.32 0.01 0.02 0.05 68 G C T 43.99 4.32 15.81 21.36 96.57 -108.89 82.63 11.31 99.08 0.02 0.90 1.08 1.37 96.89 0.51 0.13 0.00 0.01 0.01 69 L C C 52.56 11.80 13.46 26.25 98.26 127.69 -80.68 -18.08 94.15 1.31 4.54 57.98 21.47 14.42 1.50 3.07 0.00 0.56 0.99 70 Y C C 71.97 13.40 12.29 26.05 119.40 55.12 -111.61 132.01 86.89 5.59 7.52 43.32 23.46 20.46 2.32 4.77 0.01 2.25 3.41 71 R C C 132.12 5.97 15.66 22.66 104.86 -166.43 -96.96 -0.20 87.55 4.37 8.08 40.81 32.04 15.12 3.14 4.59 0.01 2.03 2.27 72 D C C 77.72 6.17 14.35 21.73 114.48 22.40 -103.33 111.47 85.97 2.80 11.22 47.78 24.96 13.35 5.91 5.04 0.00 1.17 1.78 73 E C H 102.32 7.46 13.23 21.88 96.66 -142.57 -71.30 -22.30 57.88 1.15 40.97 20.08 12.96 25.22 26.97 13.48 0.05 0.52 0.73 74 H H H 100.67 6.96 12.81 20.83 97.77 63.45 -78.68 -12.22 45.94 0.67 53.39 14.63 8.56 22.83 39.10 14.07 0.07 0.32 0.42 75 Q H H 98.76 4.20 14.65 19.90 96.60 74.71 -68.30 -34.99 36.32 0.53 63.14 10.69 7.29 18.66 50.13 12.58 0.08 0.27 0.30 76 D H H 66.05 6.01 14.74 21.99 96.06 52.79 -73.01 -26.27 36.66 0.47 62.87 18.16 5.22 14.00 55.95 6.18 0.02 0.22 0.26 77 F H H 63.62 10.40 13.33 25.05 93.81 69.78 -64.91 -40.97 6.75 0.06 93.19 3.89 1.00 1.99 91.92 1.15 0.00 0.03 0.02 78 M H H 91.72 4.33 17.07 22.18 92.38 51.78 -64.30 -41.17 1.48 0.01 98.51 0.57 0.18 0.63 98.15 0.47 0.00 0.00 0.00 79 D H H 71.03 3.02 17.94 21.10 91.98 50.39 -64.55 -40.99 0.96 0.01 99.03 0.33 0.10 0.46 98.70 0.42 0.00 0.00 0.00 80 E H H 61.28 7.87 16.06 25.55 91.89 50.64 -64.33 -41.36 0.66 0.00 99.34 0.18 0.06 0.33 99.19 0.23 0.00 0.00 0.00 81 Q H H 65.49 8.72 16.32 26.28 91.92 50.82 -64.43 -40.96 0.62 0.00 99.38 0.15 0.05 0.32 99.35 0.13 0.00 0.00 0.00 82 K H H 105.26 3.49 18.61 22.34 91.64 50.60 -64.41 -41.28 0.36 0.00 99.64 0.08 0.03 0.17 99.65 0.07 0.00 0.00 0.00 83 R H H 109.43 3.96 18.30 22.74 91.87 50.31 -64.57 -41.32 0.25 0.00 99.75 0.05 0.02 0.13 99.75 0.05 0.00 0.00 0.00 84 L H H 49.43 8.22 15.64 25.48 91.90 50.61 -64.26 -41.70 0.21 0.00 99.79 0.03 0.01 0.12 99.77 0.06 0.00 0.00 0.00 85 K H H 73.39 6.05 15.01 22.82 91.85 50.83 -64.19 -41.12 0.41 0.00 99.59 0.06 0.03 0.26 99.50 0.16 0.00 0.00 0.00 86 K H H 117.46 2.85 15.62 19.06 92.14 50.15 -65.11 -40.37 1.00 0.00 98.99 0.09 0.06 0.77 98.67 0.42 0.00 0.00 0.00 87 L H H 94.86 5.25 14.05 20.32 92.04 51.14 -67.56 -32.94 6.00 0.01 93.99 0.18 0.22 5.77 93.35 0.46 0.01 0.00 0.01 88 R C T 125.69 5.09 12.80 19.12 93.28 48.09 -88.86 -2.00 79.06 0.03 20.91 0.34 1.22 76.22 21.62 0.57 0.00 0.01 0.03 89 G C T 54.26 2.54 12.37 16.15 96.02 -111.25 78.48 14.30 99.55 0.01 0.43 1.59 2.03 96.07 0.23 0.07 0.00 0.01 0.01 90 K C C 129.90 3.28 11.52 15.96 97.61 122.41 -87.48 -15.01 99.01 0.59 0.40 68.99 28.35 1.60 0.15 0.21 0.00 0.20 0.51 91 E C C 107.86 3.58 13.61 18.51 129.15 21.84 -126.47 156.31 98.40 1.39 0.21 49.65 47.77 0.91 0.07 0.11 0.00 0.38 1.11 92 K C C 139.76 3.93 14.60 20.31 115.12 -104.20 -77.77 140.05 99.66 0.30 0.05 94.34 5.24 0.11 0.02 0.02 0.00 0.12 0.15 93 P C C 45.63 14.43 8.52 22.77 116.03 -108.28 -65.77 150.32 98.92 0.56 0.52 96.00 2.33 0.63 0.17 0.23 0.00 0.17 0.47 94 K C C 141.75 2.09 14.54 17.28 114.79 -107.83 -75.26 149.86 96.68 1.86 1.46 86.48 7.46 2.04 0.51 0.87 0.00 0.47 2.16 95 K C T 159.02 2.26 11.06 14.92 109.37 -88.61 -63.82 136.18 91.69 1.41 6.90 13.77 22.74 55.22 2.29 4.20 0.01 0.61 1.16 96 G C T 57.13 1.96 12.55 15.00 97.93 19.84 84.72 -4.78 92.03 0.87 7.10 19.09 20.24 52.86 2.69 4.11 0.00 0.37 0.65 97 E C C 108.98 4.67 10.59 16.87 103.39 107.03 -89.37 -3.61 71.08 1.14 27.78 31.73 26.35 14.12 20.39 6.03 0.02 0.34 1.01 98 G H H 36.20 4.94 13.18 19.43 117.09 8.64 76.10 -151.83 48.46 0.74 50.81 16.06 14.76 19.38 39.45 9.51 0.06 0.29 0.48 99 K H H 138.23 2.49 13.66 16.84 94.14 -19.55 -67.18 -34.52 30.08 0.59 69.33 10.06 7.39 14.19 55.83 11.84 0.09 0.29 0.30 100 R H H 132.36 3.01 13.61 17.56 92.58 53.54 -66.94 -36.15 26.90 0.79 72.31 11.35 5.97 11.31 59.28 11.24 0.08 0.41 0.35 101 A H H 36.25 7.68 10.65 20.42 93.34 55.43 -67.30 -36.58 30.10 0.91 68.99 15.96 6.24 9.79 58.01 9.11 0.04 0.45 0.39 102 A H H 61.48 4.71 11.42 17.80 95.13 56.88 -71.50 -28.56 41.48 1.11 57.41 20.13 8.41 14.73 47.70 7.93 0.04 0.53 0.53 103 K C H 143.03 2.24 10.88 14.24 99.11 63.11 -78.70 -14.90 58.42 1.49 40.10 27.26 12.09 20.18 32.24 6.74 0.03 0.66 0.80 104 R C C 158.55 3.04 8.82 13.68 106.95 84.97 -81.82 101.40 78.08 1.02 20.90 58.22 2.93 16.76 17.55 3.43 0.00 0.44 0.67 105 K C C 148.05 2.94 11.34 15.93 109.33 -137.11 -84.69 111.47 99.92 0.03 0.05 99.74 0.11 0.10 0.03 0.00 0.00 0.01 0.01